Information card for entry 4134948

Structure parameters

• Formula: C53 H40 B F24 N2 Rh
• Calculated formula: C53 H40 B F24 N2 Rh
• Title of publication: Catalytic Hydrogenation of a Manganese(V) Nitride to Ammonia.
• Authors of publication: Kim, Sangmin; Zhong, Hongyu; Park, Yoonsu; Loose, Florian; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.8596 ± 0.0002 Å
• b: 12.8714 ± 0.0002 Å
• c: 16.7648 ± 0.0002 Å
• α: 92.496 ± 0.001°
• β: 96.418 ± 0.001°
• γ: 105.15°
• Cell volume: 2654.03 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No